SMILES:
CCOC(=O)C(=Cc1cc2cc(C#N)ccc2o1)c1ccc(OC(C)=O)cc1Molecular Processing
Molecular formula
C22H17NO5
Molecular weight
375.38
Exact mass
375.1107
XLogP
4.33
TPSA
89.53
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
103.18
Supplementary Information
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